Geometry & MOs

Info

ID:	82279
PubChem CID:	49855841
Reduced:	O6C47H86 (1)
Stoich.:	A6B47C86 (1)
Weight, g/mol:	743.614495
ΔH_f, kcal/mol:	-424.81
Dipole, Da:	2.53
IP(EA), eV:	-9.45(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-(113C)octanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O[13C](=O)CCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations